COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056522
Chemical Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(morpholin-4-ium-4-ylamino)methylidene]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C\N[NH+]2CCOCC2)/C1=O)[O-]

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Molecular Weight: 404.42
Empirical Formula: C19H24N4O6

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: -0.599
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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